A quantitative x-ray analysis of the structure of potassium dihydrogen phosphate (KH<sub>2</sub>PO<sub>4</sub>)

West, J.

doi:10.1080/00150198708224823

Cited by 26 publications

(13 citation statements)

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“…Here we show that the secular dipolar coupling for the 31 P and 14 N sublattices of the I42d ADP crystal are invariant under shifts to any other site of the sublattice. We do so explicitly by writing the coordinates of the 31 P sublattice relative to the unit cell [32,33]:…”

Section: Discussionmentioning

confidence: 99%

“…The 1 H in NH4 are shown in a distributed manner to reflect this. We also place the remaining so-called "acid" protons ( 1 H) in their time-averaged positions, between the lattice sites of the nearest oxygens [32,33]. (b) The ADP crystal sample studied here, shown in a 5-mm-diameter NMR sample tube, held in place by rolled teflon tape (white).…”

Section: A Nmr Overviewmentioning

confidence: 99%

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$^{31}$P NMR study of discrete time-crystalline signatures in an ordered crystal of ammonium dihydrogen phosphate

Rovny,

Blum,

Barrett

2018

Preprint

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The rich dynamics and phase structure of driven systems include the recently described phenomenon of the "discrete time crystal" (DTC), a robust phase which spontaneously breaks the discrete time translation symmetry of its driving Hamiltonian. Experiments in trapped ions and diamond nitrogen vacancy centers have recently shown evidence for this DTC order. Here we show nuclear magnetic resonance (NMR) data of DTC behavior in a third, strikingly different system: a highly ordered spatial crystal in three dimensions. We devise a DTC echo experiment to probe the coherence of the driven system. We examine potential decay mechanisms for the DTC oscillations, and demonstrate the important effect of the internal Hamiltonian during nonzero duration pulses.

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Section: Discussionmentioning

confidence: 99%

Section: A Nmr Overviewmentioning

confidence: 99%

$^{31}$P NMR study of discrete time-crystalline signatures in an ordered crystal of ammonium dihydrogen phosphate

Rovny,

Blum,

Barrett

2018

Preprint

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“…function, already in his original paper [4] he used published structure factor data to calculate and display vector maps in projection for two important structures, potassium dihydrogen phosphate [5] and hexachlorobenzene [6]. Features in the maps could be related to the underlying structures.…”

Section: Because Patterson Was Eager To Demonstrate the Practical Usementioning

confidence: 99%

Arthur Lindo Patterson, his function and element preferences in early crystal structures

Schwalbe

2014

Crystallography Reviews

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Research Fellow at the Cambridge Crystallographic Data Centre. His research interests involve the use of structural information, mainly obtained by X-ray crystallography, to explain the activity of drugs and the properties of solid dosage forms. In periods of sabbatical leave at Brookhaven National Laboratory and Oxford University, he also applied neutron diffraction and computational chemistry. He has authored or co-authored three reviews on historical aspects of crystallography: the important pioneering crystallographic research done by Lars Vegard, renowned as a physicist studying the aurora borealis but little-known as a crystallographer; the identification by June Sutor of C-H…O hydrogen bonding, which met with disdain before eventually being confirmed; and the scientific and personal relationship between Max von Laue and the Braggs. Arthur Lindo Patterson, his function and element preferences in early crystal structures In 1934 Arthur Lindo Patterson showed that a map of interatomic vectors is obtainable from measured X-ray diffraction data without phase information. Such maps were interpretable for simple crystal structures, but proliferation and overlapping of peaks caused confusion as the number of atoms increased. Since the peak height of a vector between two particular atoms is related to the product of their atomic numbers, a complicated structure could effectively be reduced to a simple one by including just a few "heavy" atoms (of high atomic number) since their interatomic vectors would stand out from the general clutter. Once located, these atoms provide approximate phases for Fourier syntheses that reveal the locations of additional atoms. Surveys of small-molecule structures in the Cambridge Structural Database during the periods 1936-1969, when Patterson methods were commonly used, and 1980-2013, dominated by direct methods, demonstrate large differences in the abundance of certain elements. The "moderately heavy" elements K, Rb, As and Br are the heaviest element in the structure more than 3 times as often in the early period than in the recent period. Examples are given of three triumphs of the heavy atom method and two initial failures that had to be overcome.

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“…KDP (Potassium Dihydrogen Phosphate, abbreviated as KH 2 PO 4 , KDP) crystal is a large-sized single crystal, which is widely used in high power laser systems [1]. It has many excellent features such as large nonlinear optical coefficients, high laser damage threshold, wide transmission band and easy phase matching.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of dehydration process of potassium dihydrogen phosphate crystal

Zhu

Han

et al. 2019

Heliyon

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KDP crystal is showing a good property in high-power laser systems. However, working in a high-power environment is easy to have damaged-defect. Dehydration of KDP crystal is one of the damage phenomena. We explore the total energy and physical properties of the KDP crystal progressive dehydration by using First-principles calculations. It is found that the band gap of the KDP crystal gradually decreases with the deepening of dehydration, and there are many obvious defect states between 4 eV and 8 eV (the corresponding wavelength region is from 310 nm to 155 nm). It indicates that dehydration causes a reduction in the damage threshold of the KDP crystal. Our results indicate that these defect states are due to the change of hybridization type of P atoms, which is gradually transformed from original sp 3 hybridization to sp 2 hybridization in the dehydration process. An obvious redshift can be observed in the absorption spectrum, producing many distinct absorption peaks. All of the results can provide the good basis for deeply understanding the electronic and optical properties of the KDP crystal.

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A quantitative x-ray analysis of the structure of potassium dihydrogen phosphate (KH₂PO₄)

Cited by 26 publications

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$^{31}$P NMR study of discrete time-crystalline signatures in an ordered crystal of ammonium dihydrogen phosphate

$^{31}$P NMR study of discrete time-crystalline signatures in an ordered crystal of ammonium dihydrogen phosphate

Arthur Lindo Patterson, his function and element preferences in early crystal structures

First-principles study of dehydration process of potassium dihydrogen phosphate crystal

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A quantitative x-ray analysis of the structure of potassium dihydrogen phosphate (KH2PO4)

Cited by 26 publications

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$^{31}$P NMR study of discrete time-crystalline signatures in an ordered crystal of ammonium dihydrogen phosphate

$^{31}$P NMR study of discrete time-crystalline signatures in an ordered crystal of ammonium dihydrogen phosphate

Arthur Lindo Patterson, his function and element preferences in early crystal structures

First-principles study of dehydration process of potassium dihydrogen phosphate crystal

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A quantitative x-ray analysis of the structure of potassium dihydrogen phosphate (KH₂PO₄)